BDBM59207 Adenosine analog, 12

SMILES Cc1ccccc1CNc1ncnc2n(cnc12)[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)C(=O)NN

InChI Key InChIKey=FCSCDOVNNDCDKF-MOROJQBDSA-N

Data  7 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 59207   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi:  394nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi:  545nM ΔG°:  -8.54kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59207(Adenosine analog, 12)
Affinity DataEC50: >1.00E+5nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed